[(2R,3R,6S)-2-(2,4-Difluorophenyl)-6-Hydroxy-3-Methyl-2-(1H-1,2,4-Triazol-1-Ylmethyl)-4-Morpholinyl][4-(Trifluoromethyl)Phenyl]Methanone
Properties
Property | Value |
---|---|
Formula | C22H19F5N4O3 |
IUPAC Name | (2s,5r,6r)-6-(2,4-difluorophenyl)-4-[(e)-2-ethylbut-2-enoyl]-5-methyl-6-(3h-1,2,4-triazol-2-ium-2-ylmethyl)morpholin-2-olate trifluoride |
Molecular Mass | 482.403 g·mol−1 |
Heat of Formation | -1170.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.06 ± 1.08 D |
Volume | 516.37 Å 3 |
Surface Area | 407.3 Å 2 |
HOMO Energy | -9.85 ± 0.55 eV |
LUMO Energy | 1.75 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | QJHNXGWLYVMQTP-YIILKADPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |